3-[[4-(4-cyclopropylcarbonylpiperazin-1-yl)-3-(thiophen-2-ylcarbonylamino)phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[[4-(4-cyclopropylcarbonylpiperazin-1-yl)-3-(thiophen-2-ylcarbonylamino)phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-(thiophene-2-carbonylamino)benzoyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[[4-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]-3-[[oxo(thiophen-2-yl)methyl]amino]phenyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-(thiophene-2-carbonylamino)benzoyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[4-[4-(cyclopropanecarbonyl)piperazino]-3-(2-thenoylamino)benzoyl]amino]-3-(3-pyridyl)propionic acid Formula: C28H29N5O5S MolecularWeight: 547.62536

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NC(CC(=O)O)C4=CN=CC=C4)NC(=O)C5=CC=CS5

Isomeric SMILES

C1CC1C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NC(CC(=O)O)C4=CN=CC=C4)NC(=O)C5=CC=CS5

InChI

InChI=1S/C28H29N5O5S/c34-25(35)16-21(20-3-1-9-29-17-20)30-26(36)19-7-8-23(22(15-19)31-27(37)24-4-2-14-39-24)32-10-12-33(13-11-32)28(38)18-5-6-18/h1-4,7-9,14-15,17-18,21H,5-6,10-13,16H2,(H,30,36)(H,31,37)(H,34,35)